SCHEMBL31705417

SCHEMBL31705417

COC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ PSEN1 P49768 3/20 0.35
▸ PSEN2 P49810 3/20 0.35
▸ APH1B Q8WW43 3/20 0.35
▸ NCSTN Q92542 3/20 0.35
▸ APH1A Q96BI3 3/20 0.35
▸ PSENEN Q9NZ42 3/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31706315 0.89 ITGB1 (0.40) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL31706974 0.87 ITGB1 (0.47) CTSLP2RX7ITGB1ITGA4CYP2D6
SCHEMBL30862576 0.87 P2RX7 (0.34) P2RX7ITGB1ITGA4CNR2YAP1
SCHEMBL31706114 0.85 KMT2A (0.39) CTSLP2RX7PSEN1PSEN2APH1B
SCHEMBL31551639 0.84 P2RX7 (0.32) CTSLP2RX7PSEN1PSEN2APH1B
SCHEMBL31705304 0.83 CTSL (0.36) CTSLP2RX7ITGB1ITGA4KMT2A
SCHEMBL31705744 0.83 P2RX7 (0.41) P2RX7KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL31706017 0.83 P2RX7 (0.46) CTSLP2RX7ITGB1ITGA4
SCHEMBL31706731 0.83 GRN (0.45) P2RX7ITGB1ITGA4TSHRALDH1A1
SCHEMBL30862577 0.82 P2RX7 (0.47) P2RX7ITGB1ITGA4KMT2ACNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 — — WO disclosed
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